ethyl 4-[4-[2-(3,4-dimethylphenyl)ethanoyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[2-(3,4-dimethylphenyl)ethanoyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[2-(3,4-dimethylphenyl)acetyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-(3,4-dimethylphenyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(3,4-dimethylphenyl)acetyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-(3,4-dimethylphenyl)acetyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C23H28N2O5S/c1-4-30-23(27)20-7-9-21(10-8-20)31(28,29)25-13-11-24(12-14-25)22(26)16-19-6-5-17(2)18(3)15-19/h5-10,15H,4,11-14,16H2,1-3H3